2-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-hydroxybenzamide

C13H21N3O3 — CID 106139474

IUPAC2-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-hydroxybenzamide
SMILESCN(C)CC(C)(O)CNC(=O)c1cc(O)ccc1N
InChIInChI=1S/C13H21N3O3/c1-13(19,8-16(2)3)7-15-12(18)10-6-9(17)4-5-11(10)14/h4-6,17,19H,7-8,14H2,1-3H3,(H,15,18)
InChIKeyDTIYKIWQTMHQGW-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.02
Rot. Bonds5

About 2-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-hydroxybenzamide

2-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-hydroxybenzamide (PubChem CID 106139474) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-hydroxybenzamide.

Molecular Properties

Compound Name2-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-hydroxybenzamide
PubChem CID106139474
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-hydroxybenzamide
SMILESCN(C)CC(C)(O)CNC(=O)c1cc(O)ccc1N
InChIInChI=1S/C13H21N3O3/c1-13(19,8-16(2)3)7-15-12(18)10-6-9(17)4-5-11(10)14/h4-6,17,19H,7-8,14H2,1-3H3,(H,15,18)
InChIKeyDTIYKIWQTMHQGW-UHFFFAOYSA-N
XLogP0.02
TPSA98.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-hydroxybenzamide
CID 106274538
5-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-hydroxybenzamide
CID 103841103
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-hydroxybenzamide
CID 110026112
3-amino-2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 106139493
4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzamide
CID 103839610
2-amino-5-hydroxy-N',N'-dimethylbenzohydrazide
CID 107075849
3,5-diamino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 106139483
2,5-dichloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 103839782
5-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-fluorobenzamide
CID 103839807
2-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide
CID 106148349
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 103840160
3-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-fluorobenzamide
CID 106139452

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-hydroxybenzamide?
The IUPAC name of 2-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-hydroxybenzamide (CID 106139474) is 2-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-hydroxybenzamide.
What is the SMILES notation for 2-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-hydroxybenzamide?
The canonical SMILES for 2-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-hydroxybenzamide is CN(C)CC(C)(O)CNC(=O)c1cc(O)ccc1N.
What is the InChIKey of 2-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-hydroxybenzamide?
The InChIKey is DTIYKIWQTMHQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-13(19,8-16(2)3)7-15-12(18)10-6-9(17)4-5-11(10)14/h4-6,17,19H,7-8,14H2,1-3H3,(H,15,18).
What are the key properties of 2-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-hydroxybenzamide?
2-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-hydroxybenzamide has a molecular weight of 267.33 g/mol, XLogP of 0.02, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-hydroxybenzamide is sourced from PubChem (CID 106139474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).